N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide

C9H18N4 — CID 143088470

IUPACN'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
SMILESC=C(C)N1CCN(/C(N)=N/C)CC1
InChIInChI=1S/C9H18N4/c1-8(2)12-4-6-13(7-5-12)9(10)11-3/h1,4-7H2,2-3H3,(H2,10,11)
InChIKeyQGBKXTNLUAFLQD-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.08
Rot. Bonds1

About N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide

N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide (PubChem CID 143088470) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
PubChem CID143088470
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
SMILESC=C(C)N1CCN(/C(N)=N/C)CC1
InChIInChI=1S/C9H18N4/c1-8(2)12-4-6-13(7-5-12)9(10)11-3/h1,4-7H2,2-3H3,(H2,10,11)
InChIKeyQGBKXTNLUAFLQD-UHFFFAOYSA-N
XLogP0.08
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide (CID 143088470) is N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide is C=C(C)N1CCN(/C(N)=N/C)CC1.
What is the InChIKey of N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The InChIKey is QGBKXTNLUAFLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(2)12-4-6-13(7-5-12)9(10)11-3/h1,4-7H2,2-3H3,(H2,10,11).
What are the key properties of N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide has a molecular weight of 182.27 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 143088470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).